1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C12H20N2O2 — CID 64969396

IUPAC1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-4-12(3)11(16)14(9-6-5-7-9)8(2)10(15)13-12/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyKMBZVFAAAKYWPW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.05
Rot. Bonds2

About 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64969396) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64969396
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-4-12(3)11(16)14(9-6-5-7-9)8(2)10(15)13-12/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyKMBZVFAAAKYWPW-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3,6-dimethyl-1-(3-methylcyclohexyl)piperazine-2,5-dione
CID 64960224
1-cyclopentyl-6-cyclopropyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 82936883
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 114506189
3-cyclopropyl-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83242982
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875190
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64969396) is 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C2CCC2)C1=O.
What is the InChIKey of 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is KMBZVFAAAKYWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(3)11(16)14(9-6-5-7-9)8(2)10(15)13-12/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64969396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).